Found 11 hits in this display Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM37140
(MLS000096729 | N-[3-chloro-4-[4-(1-oxobutyl)-1-pip...)Show SMILES CCCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl Show InChI InChI=1S/C23H24ClN3O3/c1-2-5-22(28)27-12-10-26(11-13-27)19-9-8-17(15-18(19)24)25-23(29)21-14-16-6-3-4-7-20(16)30-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,25,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2WQ027W |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM37140
(MLS000096729 | N-[3-chloro-4-[4-(1-oxobutyl)-1-pip...)Show SMILES CCCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl Show InChI InChI=1S/C23H24ClN3O3/c1-2-5-22(28)27-12-10-26(11-13-27)19-9-8-17(15-18(19)24)25-23(29)21-14-16-6-3-4-7-20(16)30-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,25,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 4.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q2B56H4Q |
More data for this
Ligand-Target Pair | |
DNA damage-inducible transcript 3 protein
(Mus musculus) | BDBM37140
(MLS000096729 | N-[3-chloro-4-[4-(1-oxobutyl)-1-pip...)Show SMILES CCCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl Show InChI InChI=1S/C23H24ClN3O3/c1-2-5-22(28)27-12-10-26(11-13-27)19-9-8-17(15-18(19)24)25-23(29)21-14-16-6-3-4-7-20(16)30-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,25,29) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 5.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2PC30VZ |
More data for this
Ligand-Target Pair | |
DNA damage-inducible transcript 3 protein
(Mus musculus) | BDBM37140
(MLS000096729 | N-[3-chloro-4-[4-(1-oxobutyl)-1-pip...)Show SMILES CCCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl Show InChI InChI=1S/C23H24ClN3O3/c1-2-5-22(28)27-12-10-26(11-13-27)19-9-8-17(15-18(19)24)25-23(29)21-14-16-6-3-4-7-20(16)30-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,25,29) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 5.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q28C9TQN |
More data for this
Ligand-Target Pair | |
Steroidogenic factor 1
(Homo sapiens (Human)) | BDBM37140
(MLS000096729 | N-[3-chloro-4-[4-(1-oxobutyl)-1-pip...)Show SMILES CCCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl Show InChI InChI=1S/C23H24ClN3O3/c1-2-5-22(28)27-12-10-26(11-13-27)19-9-8-17(15-18(19)24)25-23(29)21-14-16-6-3-4-7-20(16)30-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 8.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q2319T8T |
More data for this
Ligand-Target Pair | |
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)
(Homo sapiens (Human)) | BDBM37140
(MLS000096729 | N-[3-chloro-4-[4-(1-oxobutyl)-1-pip...)Show SMILES CCCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl Show InChI InChI=1S/C23H24ClN3O3/c1-2-5-22(28)27-12-10-26(11-13-27)19-9-8-17(15-18(19)24)25-23(29)21-14-16-6-3-4-7-20(16)30-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 9.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q26Q1VNZ |
More data for this
Ligand-Target Pair | |
X-box-binding protein 1
(Homo sapiens (Human)) | BDBM37140
(MLS000096729 | N-[3-chloro-4-[4-(1-oxobutyl)-1-pip...)Show SMILES CCCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl Show InChI InChI=1S/C23H24ClN3O3/c1-2-5-22(28)27-12-10-26(11-13-27)19-9-8-17(15-18(19)24)25-23(29)21-14-16-6-3-4-7-20(16)30-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,25,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q2NK3CGB |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM37140
(MLS000096729 | N-[3-chloro-4-[4-(1-oxobutyl)-1-pip...)Show SMILES CCCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl Show InChI InChI=1S/C23H24ClN3O3/c1-2-5-22(28)27-12-10-26(11-13-27)19-9-8-17(15-18(19)24)25-23(29)21-14-16-6-3-4-7-20(16)30-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q25X2795 |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Mus musculus) | BDBM37140
(MLS000096729 | N-[3-chloro-4-[4-(1-oxobutyl)-1-pip...)Show SMILES CCCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl Show InChI InChI=1S/C23H24ClN3O3/c1-2-5-22(28)27-12-10-26(11-13-27)19-9-8-17(15-18(19)24)25-23(29)21-14-16-6-3-4-7-20(16)30-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,25,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 7.51E+3 | n/a | n/a | n/a | n/a |
Broad Institute
Curated by PubChem BioAssay
| Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2MW2FKX |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM37140
(MLS000096729 | N-[3-chloro-4-[4-(1-oxobutyl)-1-pip...)Show SMILES CCCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl Show InChI InChI=1S/C23H24ClN3O3/c1-2-5-22(28)27-12-10-26(11-13-27)19-9-8-17(15-18(19)24)25-23(29)21-14-16-6-3-4-7-20(16)30-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 8.63E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q2ZC817P |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM37140
(MLS000096729 | N-[3-chloro-4-[4-(1-oxobutyl)-1-pip...)Show SMILES CCCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl Show InChI InChI=1S/C23H24ClN3O3/c1-2-5-22(28)27-12-10-26(11-13-27)19-9-8-17(15-18(19)24)25-23(29)21-14-16-6-3-4-7-20(16)30-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 8.85E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q2251GJ9 |
More data for this
Ligand-Target Pair | |